Hemihedrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140133 McLean W J, Anthony J W American Mineralogist 55 (1970) 1103-1114 The crystal structure of hemihedrite _database_code_amcsd 0000205 CELL PARAMETERS: 9.4810 11.4160 10.8100 120.410 92.020 55.860 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25910 0.11160 0.25940 1.000 1.469 Pb 0.26160 0.08620 0.65680 1.000 1.151 Pb 0.93060 0.24420 0.03060 1.000 1.234 Pb 0.73070 0.41650 0.75130 1.000 1.620 Pb 0.31710 0.45300 0.53160 1.000 1.365 Zn 0.00000 0.50000 0.00000 1.000 1.101 Cr 0.95910 0.07520 0.35550 1.000 1.328 Cr 0.56420 0.17580 0.15350 1.000 1.176 Cr 0.44700 0.32460 0.83690 1.000 1.162 Si 0.02290 0.45160 0.65940 1.000 0.528 O 0.75350 0.21930 0.48350 1.000 2.120 O 0.10790 0.07780 0.44360 1.000 2.380 O 0.99400 0.11840 0.73610 1.000 1.920 O 0.96770 0.11200 0.22940 1.000 2.360 O 0.51010 0.14070 0.27120 1.000 1.540 O 0.43180 0.19920 0.05730 1.000 2.160 O 0.77720 0.00820 0.02740 1.000 2.060 O 0.54050 0.35850 0.26860 1.000 1.760 O 0.59900 0.29690 0.91410 1.000 1.870 O 0.45590 0.39850 0.74420 1.000 2.450 O 0.23850 0.48150 0.97670 1.000 0.970 O 0.47940 0.13600 0.71830 1.000 1.540 O 0.20890 0.30530 0.51200 1.000 1.600 O 0.04210 0.38590 0.76770 1.000 1.200 O 0.99310 0.37170 0.25680 1.000 0.920 O 0.84750 0.47880 0.61340 1.000 1.180 F 0.14250 0.24880 0.93180 1.000 0.870 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 61.04054800 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.12 3.17 8.7380 0 0 1 10.15 1.23 8.7120 1 1 0 11.58 2.02 7.6424 0 1 0 12.03 4.22 7.3549 1 0 0 12.75 1.42 6.9446 1 0 1 16.11 7.33 5.5018 1 1 1 16.41 2.97 5.4005 0 -1 2 18.20 49.71 4.8732 1 2 0 18.27 18.91 4.8546 -1 0 1 18.33 2.63 4.8406 1 -1 1 18.98 24.55 4.6754 -1 -2 2 19.08 4.27 4.6523 2 1 0 20.26 9.67 4.3837 -1 -1 2 20.30 2.55 4.3738 -2 -2 1 20.33 4.76 4.3690 0 0 2 20.39 34.36 4.3560 2 2 0 20.54 1.77 4.3230 1 -1 2 20.87 1.32 4.2558 2 1 1 21.41 5.40 4.1508 -1 1 0 22.38 1.57 3.9720 -2 -1 1 22.73 25.95 3.9120 2 0 1 23.28 5.56 3.8212 0 2 0 24.16 12.05 3.6836 -1 -3 2 24.20 12.80 3.6774 2 0 0 24.44 6.24 3.6417 -2 -3 1 24.87 7.24 3.5797 -2 -2 2 25.08 1.74 3.5505 2 2 1 25.30 7.34 3.5204 0 -2 3 25.53 14.32 3.4887 0 -1 3 25.66 14.89 3.4723 2 0 2 25.75 11.52 3.4594 -2 -3 2 26.26 27.70 3.3931 -1 -2 3 26.81 8.44 3.3256 2 1 2 27.06 100.00 3.2954 1 -2 2 27.13 11.45 3.2867 -1 0 2 27.26 1.70 3.2713 2 3 0 27.81 1.34 3.2075 -1 -3 3 28.06 3.09 3.1804 1 -2 1 28.16 20.25 3.1687 -1 1 1 28.26 62.17 3.1580 3 2 0 28.76 71.44 3.1036 1 0 3 28.89 11.03 3.0900 0 1 2 28.97 11.68 3.0819 1 3 0 29.18 7.20 3.0605 -2 -1 2 29.45 11.99 3.0325 -2 0 1 29.59 1.07 3.0192 2 -1 2 29.72 1.02 3.0057 -3 -2 1 29.82 6.49 2.9963 -3 -3 1 29.83 14.57 2.9948 1 -2 3 30.10 2.00 2.9687 0 -3 3 30.22 1.62 2.9571 0 -3 1 30.45 6.30 2.9356 3 2 1 30.47 1.49 2.9336 3 1 0 30.55 45.56 2.9259 0 2 1 30.70 4.72 2.9127 0 0 3 30.70 7.24 2.9123 -2 -3 3 31.41 38.50 2.8476 -2 -4 2 32.28 33.15 2.7735 -2 -2 3 32.33 3.58 2.7694 -3 -3 2 32.51 5.06 2.7541 -1 2 0 33.02 1.86 2.7128 2 -1 3 33.02 14.07 2.7127 -1 -4 2 33.03 2.25 2.7123 -2 1 0 33.18 1.18 2.7003 0 -2 4 33.24 17.92 2.6950 2 3 1 33.54 10.11 2.6721 -2 -4 3 33.75 2.70 2.6558 -1 -4 3 33.93 3.33 2.6422 1 2 2 34.05 5.43 2.6331 -3 -1 1 34.30 3.60 2.6142 -3 -4 1 34.37 2.76 2.6092 -1 -3 4 34.38 2.14 2.6088 3 0 1 34.42 12.24 2.6055 -3 -2 2 34.47 1.14 2.6018 -3 -4 2 34.90 4.08 2.5705 1 1 3 34.96 2.39 2.5665 2 1 3 34.98 2.96 2.5652 3 3 1 35.02 4.75 2.5623 0 -3 4 35.18 6.40 2.5509 3 0 2 35.19 3.73 2.5503 1 -1 4 35.23 4.54 2.5475 0 3 0 35.24 2.81 2.5469 -1 -2 4 35.48 1.74 2.5300 0 -1 4 35.69 8.73 2.5157 3 2 2 36.66 5.87 2.4516 3 0 0 36.89 3.03 2.4366 2 4 0 36.94 1.49 2.4332 -1 0 3 37.04 1.10 2.4273 -2 0 2 37.19 4.27 2.4173 3 4 0 38.26 8.00 2.3525 4 3 0 38.66 1.41 2.3291 -4 -3 1 38.71 2.05 2.3262 4 2 0 38.78 15.47 2.3222 0 -4 2 38.91 4.60 2.3149 3 0 3 39.04 3.28 2.3074 0 1 3 39.09 2.12 2.3043 -2 1 1 39.09 1.96 2.3043 2 -2 1 39.19 6.96 2.2986 3 1 3 39.19 1.04 2.2984 1 -3 1 39.41 3.28 2.2862 0 2 2 39.96 1.22 2.2562 -2 -5 3 40.26 8.23 2.2400 -3 -5 2 40.51 1.21 2.2265 0 -4 4 41.28 12.31 2.1869 -4 -4 2 41.33 9.26 2.1845 0 0 4 41.39 2.98 2.1816 -3 -2 3 41.43 1.14 2.1797 4 1 1 41.46 2.83 2.1780 4 4 0 41.49 6.16 2.1762 2 2 3 41.54 4.58 2.1742 3 3 2 41.58 8.66 2.1718 -3 0 1 41.81 1.20 2.1607 -4 -3 2 42.05 3.86 2.1487 0 -4 1 42.38 4.35 2.1330 0 -2 5 42.40 2.81 2.1319 0 3 1 42.46 1.84 2.1291 -1 -5 3 42.61 6.35 2.1218 3 4 1 42.72 2.53 2.1168 4 1 0 43.29 1.68 2.0901 1 -2 5 43.42 3.43 2.0839 2 4 1 43.61 13.08 2.0755 -1 -4 5 43.61 4.72 2.0754 -2 2 0 43.63 3.19 2.0746 -1 -5 2 43.70 1.23 2.0712 1 2 3 43.90 1.84 2.0625 -1 -5 4 44.37 3.59 2.0418 -1 3 0 44.69 2.92 2.0279 1 -1 5 44.73 2.74 2.0261 -4 -5 1 44.94 1.79 2.0172 3 0 4 45.05 2.26 2.0122 -3 -3 4 45.11 11.29 2.0100 -4 -4 3 45.24 2.08 2.0045 1 -3 5 45.26 11.82 2.0034 0 -4 5 45.32 1.03 2.0009 1 1 4 45.42 6.28 1.9968 -3 1 0 45.53 3.20 1.9922 4 3 2 45.55 3.06 1.9916 -2 -4 5 45.68 4.11 1.9860 -4 -2 2 45.93 2.01 1.9758 1 -4 3 46.27 2.66 1.9622 3 -1 4 46.42 10.49 1.9560 4 0 2 46.64 1.22 1.9474 4 1 3 46.78 5.05 1.9419 -2 -3 5 46.85 2.66 1.9391 2 -3 2 46.86 2.16 1.9388 3 1 4 47.25 4.53 1.9236 -1 -5 1 47.42 4.96 1.9171 -2 -1 4 47.69 17.25 1.9070 2 -2 5 47.73 1.44 1.9055 1 4 1 47.82 3.36 1.9022 -1 2 2 47.94 3.68 1.8978 2 5 0 47.98 7.87 1.8960 4 2 3 48.05 3.15 1.8936 -3 -1 3 48.47 7.94 1.8782 4 0 3 48.52 6.76 1.8764 3 -2 3 48.62 1.21 1.8728 -3 -6 2 48.64 1.58 1.8720 0 -5 4 48.72 3.73 1.8689 3 -2 2 48.83 3.39 1.8652 5 4 0 49.19 1.99 1.8523 5 3 1 49.32 2.89 1.8478 2 0 5 49.49 1.09 1.8418 -2 -6 4 49.58 7.17 1.8387 4 0 0 49.70 3.22 1.8346 0 1 4 49.71 1.51 1.8339 3 3 3 49.87 1.43 1.8285 -3 -2 4 49.99 3.83 1.8245 5 2 1 50.06 1.82 1.8221 2 -3 1 50.10 6.88 1.8208 -4 -6 2 50.23 3.36 1.8163 1 -4 5 50.34 1.20 1.8128 0 -5 2 50.45 1.56 1.8090 -2 -6 2 50.51 3.36 1.8068 5 2 0 50.55 4.51 1.8054 -1 -1 5 50.75 1.48 1.7988 -3 -4 5 51.03 1.67 1.7899 -4 -4 4 51.06 2.27 1.7889 -2 -2 5 51.18 5.46 1.7847 1 -4 1 51.39 1.75 1.7779 2 2 4 51.42 1.87 1.7772 -1 -4 6 51.42 2.14 1.7771 -1 3 1 51.48 4.24 1.7753 4 4 2 51.62 1.42 1.7707 -3 -6 1 52.13 5.22 1.7545 -1 -3 6 52.28 1.29 1.7500 3 5 1 52.31 1.02 1.7490 1 -2 6 52.52 1.45 1.7424 5 5 0 52.62 5.64 1.7394 -1 -6 4 52.67 3.06 1.7379 3 0 5 52.72 2.30 1.7362 4 0 4 52.82 4.39 1.7331 4 5 1 53.29 2.58 1.7189 -5 -2 1 53.49 10.62 1.7130 -3 -6 5 53.81 1.24 1.7036 -3 -3 5 54.19 1.76 1.6924 1 3 3 54.20 3.62 1.6923 1 2 4 54.29 1.34 1.6897 -2 -6 1 54.48 2.77 1.6844 -4 -3 4 54.57 5.06 1.6817 -1 -6 5 54.66 1.92 1.6790 4 -1 1 54.70 1.39 1.6781 -5 -6 2 54.83 1.16 1.6743 -5 -4 3 54.86 1.61 1.6734 2 5 1 55.00 2.74 1.6695 1 -1 6 55.35 1.13 1.6597 -1 -6 2 55.71 3.41 1.6499 -1 -2 6 55.79 6.44 1.6477 2 -4 4 55.83 2.80 1.6467 2 -4 3 55.86 2.59 1.6459 -5 -6 3 55.89 1.04 1.6452 -3 2 0 55.95 3.37 1.6434 -2 0 4 56.07 5.31 1.6402 -2 1 3 56.28 4.43 1.6345 1 4 2 56.29 1.39 1.6343 1 1 5 56.66 2.70 1.6244 3 6 0 56.74 2.30 1.6224 -3 -7 3 56.86 1.07 1.6192 -1 1 4 56.90 1.89 1.6182 -3 0 3 56.92 2.64 1.6176 -1 4 0 57.83 4.27 1.5943 5 3 3 57.89 2.24 1.5930 2 -4 5 58.07 1.25 1.5884 -3 -5 6 58.10 2.77 1.5876 -5 -2 2 58.30 3.49 1.5826 -4 -7 2 58.37 3.07 1.5808 -1 0 5 58.45 1.97 1.5790 6 4 0 58.53 3.55 1.5771 -2 -7 4 58.58 3.74 1.5758 3 4 3 58.62 1.33 1.5747 0 -6 4 58.64 1.92 1.5743 -3 1 2 58.81 3.40 1.5703 5 6 0 59.00 1.15 1.5656 -3 -7 5 59.10 2.44 1.5631 3 3 4 59.11 4.67 1.5629 -5 -6 4 59.42 1.48 1.5556 1 -5 2 59.57 1.68 1.5519 -3 -4 6 59.57 2.81 1.5518 2 0 6 59.69 1.15 1.5492 6 3 1 59.74 1.39 1.5480 5 0 3 59.82 1.62 1.5460 -4 -1 3 59.83 1.95 1.5457 -1 -6 1 60.42 2.03 1.5321 0 -3 7 60.74 1.61 1.5247 5 1 4 60.93 1.03 1.5205 2 4 3 61.17 1.67 1.5151 -1 -5 7 61.19 1.46 1.5147 1 -3 7 61.42 1.15 1.5095 4 -2 2 61.72 5.17 1.5029 -6 -4 2 62.04 2.22 1.4960 -6 -6 1 62.11 1.40 1.4944 2 2 5 62.24 1.40 1.4917 5 5 2 62.79 2.43 1.4799 -3 -7 1 62.85 1.43 1.4785 6 2 2 63.21 1.10 1.4710 5 0 0 63.33 1.12 1.4686 0 -2 7 63.37 1.71 1.4678 6 4 2 63.42 1.34 1.4668 6 2 0 63.60 5.09 1.4630 0 4 2 63.92 2.78 1.4565 4 2 5 64.32 1.32 1.4483 -4 1 1 64.43 1.29 1.4461 4 -2 1 64.44 1.04 1.4460 -1 -6 7 65.53 1.36 1.4246 -5 -1 2 65.94 1.10 1.4166 -6 -7 2 66.07 1.18 1.4140 5 -1 2 67.34 1.04 1.3905 -6 -7 1 67.43 1.37 1.3889 5 0 5 67.43 3.02 1.3888 0 -6 7 67.55 1.13 1.3868 -4 -4 6 68.13 1.94 1.3763 -1 -7 2 68.22 1.02 1.3746 0 5 1 68.45 1.29 1.3706 3 4 4 68.57 2.70 1.3686 -5 -4 5 68.78 1.09 1.3648 3 -2 7 69.01 1.28 1.3609 4 1 6 69.57 1.29 1.3514 -3 -4 7 69.74 1.71 1.3484 0 -7 5 69.79 1.88 1.3475 4 6 2 69.97 1.98 1.3446 -4 -2 5 70.17 1.11 1.3412 3 -4 2 70.28 2.14 1.3394 -3 2 2 70.41 1.07 1.3373 2 -5 2 71.19 1.22 1.3245 1 -4 8 71.33 2.14 1.3222 0 2 5 71.64 1.23 1.3172 6 3 4 71.83 2.01 1.3142 4 -3 2 71.88 2.64 1.3135 -4 -6 7 72.21 2.45 1.3082 1 0 7 72.45 2.44 1.3046 -2 -6 8 72.48 1.38 1.3040 6 0 3 73.02 1.50 1.2958 1 -6 7 73.20 1.67 1.2930 5 7 1 73.25 1.57 1.2922 -6 -6 5 73.32 1.60 1.2912 -2 -2 7 73.65 1.56 1.2862 5 -2 3 73.66 1.40 1.2861 2 -3 8 74.49 1.69 1.2737 0 6 0 74.63 1.01 1.2717 -3 -3 7 74.81 1.60 1.2691 -3 3 1 75.48 3.46 1.2596 3 -4 7 75.81 1.77 1.2548 5 -2 5 76.02 1.17 1.2519 6 1 5 76.26 1.70 1.2486 2 6 2 77.31 1.25 1.2342 -3 0 5 77.94 1.14 1.2258 3 -2 8 78.41 1.70 1.2196 -6 -2 3 78.84 1.21 1.2140 4 6 3 79.42 2.19 1.2066 4 -4 5 80.05 2.08 1.1987 5 4 5 81.29 2.10 1.1835 6 6 3 82.00 1.00 1.1751 5 0 7 82.82 2.09 1.1655 -1 0 7 83.06 1.28 1.1628 2 4 5 83.35 1.15 1.1594 -1 4 3 83.37 1.50 1.1592 3 0 8 85.10 1.14 1.1400 -1 6 0 86.45 1.45 1.1257 2 2 7 89.10 1.77 1.0989 1 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.